N-benzyl-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline
Chemical Structure Depiction of
N-benzyl-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline
N-benzyl-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline
Compound characteristics
| Compound ID: | 4265-2566 |
| Compound Name: | N-benzyl-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C24 H26 N4 O4 S |
| Smiles: | Cc1ccc(cc1)S(N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5746 |
| logD: | 4.5746 |
| logSw: | -4.4431 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.827 |
| InChI Key: | CUWAFIXVUQIESL-UHFFFAOYSA-N |